Chemical Properties of 5«beta»-pregnane-3«alpha»,11«beta»,17«alpha»,20«beta»,21-Pentol, 5«beta»-pregnane

InChI

InChI=1S/C19H32O5/c20-9-17(23)19(24)6-5-13-14-3-1-10-7-11(21)2-4-12(10)18(14)16(22)8-15(13)19/h10-18,20-24H,1-9H2/t10-,11-,12?,13?,14?,15?,16+,17-,18?,19-/m0/s1

InChI Key

KEDYQHPGKLKUDH-QYNBOFHISA-N

Formula

C19H32O5

SMILES

OCC(O)C1(O)CCC2C3CCC4CC(O)CCC4C3C(O)CC21

Molecular Weight¹

340.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-438.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1027.98	kJ/mol	Joback Calculated Property
ΔfusH°	42.98	kJ/mol	Joback Calculated Property
ΔvapH°	138.71	kJ/mol	Joback Calculated Property
log10WS	-2.67		Crippen Calculated Property
logPoct/wat	0.665		Crippen Calculated Property
McVol	264.480	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[3088.00; 3088.00]
Inp	3088.00		NIST
Inp	3088.00		NIST
Tboil	1119.78	K	Joback Calculated Property
Tc	1389.72	K	Joback Calculated Property
Tfus	649.85	K	Joback Calculated Property
Vc	0.970	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1129.83; 1311.85]	J/mol×K	[1119.78; 1389.72]
Cp,gas	1129.83	J/mol×K	1119.78	Joback Calculated Property
Cp,gas	1156.27	J/mol×K	1164.77	Joback Calculated Property
Cp,gas	1183.78	J/mol×K	1209.76	Joback Calculated Property
Cp,gas	1212.73	J/mol×K	1254.75	Joback Calculated Property
Cp,gas	1243.48	J/mol×K	1299.74	Joback Calculated Property
Cp,gas	1276.40	J/mol×K	1344.73	Joback Calculated Property
Cp,gas	1311.85	J/mol×K	1389.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»-pregnane-3«alpha»,11«beta»,17«alpha»,20«beta»,21-Pentol, 5«beta»-pregnane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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